AC1N94A1
17-(2,3-dihydro-1,4-benzodioxin-6-yl)-14-methyl-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-3-(4-methylbenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one|11-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C29H23N5O3 |
|---|---|
| Molecular Weight | 489.18008 g/mol |
| LogP | 4.71994 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.18008 |
| Monoisotopic Mass | 489.18008 |
| Heavy Atoms | 37 |
| Complexity | 1904.2457 |
Chemical Identifiers
| CAS Number | 836633-79-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC7=C(C=C6)OCCO7)C |
Product Overview
AC1N94A1 (CAS 836633-79-5), with molecular formula C29H23N5O3 and molecular weight 489.18008 g/mol. IUPAC: 17-(2,3-dihydro-1,4-benzodioxin-6-yl)-14-methyl-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
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